Information card for entry 4102967

Structure parameters

• Formula: C105 H54 Si
• Calculated formula: C105 H54 Si
• SMILES: C12(c3c4c5c1c1c6c7C2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3c8c4c4c9c5c1c1c6c2c3c41)[Si](c1c(cc(cc1C)C(C)(C)C)C)(c1c(cc(cc1C)C(C)(C)C)C)C=C(c1ccccc1)c1ccccc1.Cc1ccccc1
• Title of publication: Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives
• Authors of publication: Junko Nagatsuka; Sachie Sugitani; Masahiro Kako; Tsukasa Nakahodo; Naomi Mizorogi; Midori O. Ishitsuka; Yutaka Maeda; Takahiro Tsuchiya; Takeshi Akasaka; Xingfa Gao; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12106 - 12120
• a: 14.287 ± 0.002 Å
• b: 23.441 ± 0.005 Å
• c: 19.533 ± 0.003 Å
• α: 90°
• β: 104.27 ± 0.005°
• γ: 90°
• Cell volume: 6339.8 ± 1.9 ų
• Cell temperature: 90.1 K
• Ambient diffraction temperature: 90.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No